Spektraris NMR
1-Methoxy-4-cadinene
Common Name: 1-Methoxy-4-cadinene
Synonyms: 1-Methoxy-4-cadinene
CAS Registry Number:
InChI: InChI=1S/C16H28O/c1-11(2)14-7-6-13(4)16(17-5)9-8-12(3)10-15(14)16/h10-11,13-15H,6-9H2,1-5H3/t13-,14+,15+,16-/m1/s1
InChIKey: InChIKey=WPYWXKMNACRLCE-FXUDXRNXSA-N
Formula: C16H28O1
Molecular Weight: 236.39352
Exact Mass: 236.214016
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Arihara, S., Umeyama, A., Bando, S., Imoto, S., Ono, M., Yoshikawa, K. Chem Pharm Bull (2004) 52, 463-5
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Cadinanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (C) | 74.9 |
| 2 (CH2) | 27 |
| 3 (CH2) | 27.3 |
| 4 (C) | 133.9 |
| 5 (CH) | 119.8 |
| 6 (CH) | 47.7 |
| 7 (CH) | 39.1 |
| 8 (CH2) | 24.5 |
| 9 (CH2) | 30.2 |
| 10 (CH) | 42.1 |
| 11 (CH) | 26 |
| 12 (CH3) | 21.3 |
| 13 (CH3) | 14.6 |
| 14 (CH3) | 23.9 |
| 15 (CH3) | 17.3 |
| 1a (CH3) | 52.3 |
